Information card for entry 7205883

Structure parameters

• Common name: (((2PyHCH2PO3H)Fe2)(ClO4))n
• Formula: C18 H24 Cl3 Fe N3 O21 P3
• Calculated formula: C18 H24 Cl3 Fe N3 O21 P3
• Title of publication: 2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates
• Authors of publication: Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 3551
• a: 23.6196 ± 0.0007 Å
• b: 23.6196 ± 0.0007 Å
• c: 9.5024 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4591 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No